3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide

C17H23N3O5S — CID 46258694

IUPAC3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCC1CCCCN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C17H23N3O5S/c1-12-5-3-4-10-20(12)16(21)8-9-18-26(23,24)13-6-7-14-15(11-13)25-17(22)19(14)2/h6-7,11-12,18H,3-5,8-10H2,1-2H3
InChIKeyMYKSBANJHFIKBE-UHFFFAOYSA-N
MW381.45 g/mol
LogP1.20
Rot. Bonds5

About 3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide

3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 46258694) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID46258694
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Name3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCC1CCCCN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C17H23N3O5S/c1-12-5-3-4-10-20(12)16(21)8-9-18-26(23,24)13-6-7-14-15(11-13)25-17(22)19(14)2/h6-7,11-12,18H,3-5,8-10H2,1-2H3
InChIKeyMYKSBANJHFIKBE-UHFFFAOYSA-N
XLogP1.20
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide with MolForge

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Related Compounds

N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
CID 46258690
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 3242215
N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
CID 71683883
3-methyl-N-(oxan-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110736456
3-methyl-2-oxo-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1,3-benzoxazole-6-sulfonamide
CID 3241000
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
N-(5-hydroxypentyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 107319361
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738879
N-[2-(tert-butylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 56806975
3-methyl-2-oxo-N-(2-piperidin-3-ylethyl)-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 119979260
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110402939
N-(3-chlorophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
CID 126458383

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 46258694) is 3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide is CC1CCCCN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is MYKSBANJHFIKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-12-5-3-4-10-20(12)16(21)8-9-18-26(23,24)13-6-7-14-15(11-13)25-17(22)19(14)2/h6-7,11-12,18H,3-5,8-10H2,1-2H3.
What are the key properties of 3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 381.45 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 46258694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).